N-(3-fluoro-4-methylphenyl)-1,3,8-trimethyl-2,4,7-trioxopyrido[2,3-d]pyrimidine-5-carboxamide

C18H17FN4O4 — CID 53027821

IUPACN-(3-fluoro-4-methylphenyl)-1,3,8-trimethyl-2,4,7-trioxopyrido[2,3-d]pyrimidine-5-carboxamide
SMILESCc1ccc(NC(=O)c2cc(=O)n(C)c3c2c(=O)n(C)c(=O)n3C)cc1F
InChIInChI=1S/C18H17FN4O4/c1-9-5-6-10(7-12(9)19)20-15(25)11-8-13(24)21(2)16-14(11)17(26)23(4)18(27)22(16)3/h5-8H,1-4H3,(H,20,25)
InChIKeyQATWHYMMSYCSHA-UHFFFAOYSA-N
MW372.36 g/mol
LogP0.64
Rot. Bonds2

About N-(3-fluoro-4-methylphenyl)-1,3,8-trimethyl-2,4,7-trioxopyrido[2,3-d]pyrimidine-5-carboxamide

N-(3-fluoro-4-methylphenyl)-1,3,8-trimethyl-2,4,7-trioxopyrido[2,3-d]pyrimidine-5-carboxamide (PubChem CID 53027821) has the molecular formula C18H17FN4O4 and a molecular weight of 372.36 g/mol. Its IUPAC name is N-(3-fluoro-4-methylphenyl)-1,3,8-trimethyl-2,4,7-trioxopyrido[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(3-fluoro-4-methylphenyl)-1,3,8-trimethyl-2,4,7-trioxopyrido[2,3-d]pyrimidine-5-carboxamide
PubChem CID53027821
Molecular FormulaC18H17FN4O4
Molecular Weight372.36 g/mol
Exact Mass372.12
IUPAC NameN-(3-fluoro-4-methylphenyl)-1,3,8-trimethyl-2,4,7-trioxopyrido[2,3-d]pyrimidine-5-carboxamide
SMILESCc1ccc(NC(=O)c2cc(=O)n(C)c3c2c(=O)n(C)c(=O)n3C)cc1F
InChIInChI=1S/C18H17FN4O4/c1-9-5-6-10(7-12(9)19)20-15(25)11-8-13(24)21(2)16-14(11)17(26)23(4)18(27)22(16)3/h5-8H,1-4H3,(H,20,25)
InChIKeyQATWHYMMSYCSHA-UHFFFAOYSA-N
XLogP0.64
TPSA95.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.36
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-methylphenyl)-1,3,8-trimethyl-2,4,7-trioxopyrido[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of N-(3-fluoro-4-methylphenyl)-1,3,8-trimethyl-2,4,7-trioxopyrido[2,3-d]pyrimidine-5-carboxamide (CID 53027821) is N-(3-fluoro-4-methylphenyl)-1,3,8-trimethyl-2,4,7-trioxopyrido[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for N-(3-fluoro-4-methylphenyl)-1,3,8-trimethyl-2,4,7-trioxopyrido[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for N-(3-fluoro-4-methylphenyl)-1,3,8-trimethyl-2,4,7-trioxopyrido[2,3-d]pyrimidine-5-carboxamide is Cc1ccc(NC(=O)c2cc(=O)n(C)c3c2c(=O)n(C)c(=O)n3C)cc1F.
What is the InChIKey of N-(3-fluoro-4-methylphenyl)-1,3,8-trimethyl-2,4,7-trioxopyrido[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is QATWHYMMSYCSHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O4/c1-9-5-6-10(7-12(9)19)20-15(25)11-8-13(24)21(2)16-14(11)17(26)23(4)18(27)22(16)3/h5-8H,1-4H3,(H,20,25).
What are the key properties of N-(3-fluoro-4-methylphenyl)-1,3,8-trimethyl-2,4,7-trioxopyrido[2,3-d]pyrimidine-5-carboxamide?
N-(3-fluoro-4-methylphenyl)-1,3,8-trimethyl-2,4,7-trioxopyrido[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 372.36 g/mol, XLogP of 0.64, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-methylphenyl)-1,3,8-trimethyl-2,4,7-trioxopyrido[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 53027821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).